CID 6449829

113866-89-0

Structural Information

Molecular Formula
C25H30O5
SMILES
CC(=CCC/C(=C/CC1=C(C=CC(=C1O)O)CCC(=O)C2=C(C=C(C=C2)O)O)/C)C
InChI
InChI=1S/C25H30O5/c1-16(2)5-4-6-17(3)7-11-20-18(9-14-23(28)25(20)30)8-13-22(27)21-12-10-19(26)15-24(21)29/h5,7,9-10,12,14-15,26,28-30H,4,6,8,11,13H2,1-3H3/b17-7+
InChIKey
FVNFXIPJDHVJGE-REZTVBANSA-N
Compound name
1-(2,4-dihydroxyphenyl)-3-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4-dihydroxyphenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

1
Patents

410.20932 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.21660 203.5
[M+Na]+ 433.19854 213.4
[M+NH4]+ 428.24314 206.7
[M+K]+ 449.17248 208.2
[M-H]- 409.20204 203.5
[M+Na-2H]- 431.18399 205.1
[M]+ 410.20877 204.5
[M]- 410.20987 204.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe